CID 155822493

2503205-81-8

Structural Information

Molecular Formula
C7H4ClF2NO4S
SMILES
CC1=C(C(=CC(=C1F)S(=O)(=O)Cl)[N+](=O)[O-])F
InChI
InChI=1S/C7H4ClF2NO4S/c1-3-6(9)4(11(12)13)2-5(7(3)10)16(8,14)15/h2H,1H3
InChIKey
XVSUCWXQHUZXQM-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-methyl-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.95175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95903 143.7
[M+Na]+ 293.94097 154.7
[M-H]- 269.94447 146.1
[M+NH4]+ 288.98557 161.0
[M+K]+ 309.91491 146.3
[M+H-H2O]+ 253.94901 142.6
[M+HCOO]- 315.94995 157.1
[M+CH3COO]- 329.96560 186.7
[M+Na-2H]- 291.92642 148.2
[M]+ 270.95120 145.4
[M]- 270.95230 145.4
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.