CID 3635759

2-bromobenzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1=CC=C(C(=C1)C(=N)N)Br
InChI
InChI=1S/C7H7BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKey
PIHUJDNZNWCAMK-UHFFFAOYSA-N
Compound name
2-bromobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

197.97926 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 133.3
[M+Na]+ 220.968478 143.7
[M-H]- 196.971984 139.2
[M+NH4]+ 216.013083 155.1
[M+K]+ 236.942418 132.0
[M+H-H2O]+ 180.976520 132.5
[M+HCOO]- 242.977461 156.2
[M+CH3COO]- 256.993111 185.8
[M+Na-2H]- 218.953926 140.8
[M]+ 197.97871142 147.6
[M]- 197.97980858 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe