CID 81706864

N-(2-bromo-3-methylphenyl)formamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC1=C(C(=CC=C1)NC=O)Br
InChI
InChI=1S/C8H8BrNO/c1-6-3-2-4-7(8(6)9)10-5-11/h2-5H,1H3,(H,10,11)
InChIKey
CWUOYURHRMLCGE-UHFFFAOYSA-N
Compound name
N-(2-bromo-3-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 134.7
[M+Na]+ 235.96815 146.7
[M-H]- 211.97165 141.4
[M+NH4]+ 231.01275 157.0
[M+K]+ 251.94209 135.6
[M+H-H2O]+ 195.97619 134.6
[M+HCOO]- 257.97713 158.3
[M+CH3COO]- 271.99278 186.8
[M+Na-2H]- 233.95360 143.2
[M]+ 212.97838 153.4
[M]- 212.97948 153.4
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.