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

1
Patents

212.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 134.7
[M+Na]+ 235.968148 146.7
[M-H]- 211.971654 141.4
[M+NH4]+ 231.012753 157.0
[M+K]+ 251.942088 135.6
[M+H-H2O]+ 195.976190 134.6
[M+HCOO]- 257.977131 158.3
[M+CH3COO]- 271.992781 186.8
[M+Na-2H]- 233.953596 143.2
[M]+ 212.97838142 153.4
[M]- 212.97947858 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

patents stripe