CID 59635470

913297-44-6

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C2=C(C=CC=C2Br)NC1=O
InChI
InChI=1S/C8H7BrN2O/c1-11-7-5(9)3-2-4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
RTGYXYYWJABYDE-UHFFFAOYSA-N
Compound name
4-bromo-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

225.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 136.6
[M+Na]+ 248.96340 152.4
[M-H]- 224.96690 141.5
[M+NH4]+ 244.00800 158.9
[M+K]+ 264.93734 140.4
[M+H-H2O]+ 208.97144 137.0
[M+HCOO]- 270.97238 157.7
[M+CH3COO]- 284.98803 152.9
[M+Na-2H]- 246.94885 145.3
[M]+ 225.97363 156.9
[M]- 225.97473 156.9
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