CID 258763

71862-02-7

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(C=CC=C1Cl)NC=O
InChI
InChI=1S/C8H8ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-5H,1H3,(H,10,11)
InChIKey
SUWRYAVUKJZWLI-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

169.02943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.1
[M+Na]+ 192.01865 141.0
[M-H]- 168.02215 135.3
[M+NH4]+ 187.06325 152.6
[M+K]+ 207.99259 137.2
[M+H-H2O]+ 152.02669 126.6
[M+HCOO]- 214.02763 152.9
[M+CH3COO]- 228.04328 180.3
[M+Na-2H]- 190.00410 138.3
[M]+ 169.02888 133.4
[M]- 169.02998 133.4
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

patents stripe