CID 338557

78633-49-5

Structural Information

Molecular Formula
C14H10ClN3O6S
SMILES
CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC1=O
InChI
InChI=1S/C14H10ClN3O6S/c1-17-12-7-9(3-5-13(12)24-14(17)19)25(22,23)16-10-4-2-8(15)6-11(10)18(20)21/h2-7,16H,1H3
InChIKey
NTIGDIYFGUZIAZ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-nitrophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.9979 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00518 182.2
[M+Na]+ 405.98712 192.6
[M-H]- 381.99062 191.0
[M+NH4]+ 401.03172 194.2
[M+K]+ 421.96106 184.6
[M+H-H2O]+ 365.99516 180.3
[M+HCOO]- 427.99610 197.9
[M+CH3COO]- 442.01175 208.1
[M+Na-2H]- 403.97257 190.4
[M]+ 382.99735 189.7
[M]- 382.99845 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.