CID 143077

N-(2-chloro-5-nitrophenyl)formamide

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])NC=O)Cl
InChI
InChI=1S/C7H5ClN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-4H,(H,9,11)
InChIKey
CRCYQFWNUVRVCO-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-nitrophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

199.99887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 136.4
[M+Na]+ 222.98809 145.1
[M-H]- 198.99159 140.4
[M+NH4]+ 218.03269 155.5
[M+K]+ 238.96203 138.0
[M+H-H2O]+ 182.99613 136.3
[M+HCOO]- 244.99707 159.6
[M+CH3COO]- 259.01272 178.4
[M+Na-2H]- 220.97354 144.8
[M]+ 199.99832 137.2
[M]- 199.99942 137.2
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

patents stripe