CID 12652211

2-(aminomethyl)-4,6-dichlorophenol hydrochloride

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
C1=C(C=C(C(=C1CN)O)Cl)Cl
InChI
InChI=1S/C7H7Cl2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKey
JTVDZUWMDWGQSB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

190.99046 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 134.6
[M+Na]+ 213.97968 145.4
[M-H]- 189.98318 136.6
[M+NH4]+ 209.02428 155.0
[M+K]+ 229.95362 139.8
[M+H-H2O]+ 173.98772 131.7
[M+HCOO]- 235.98866 149.2
[M+CH3COO]- 250.00431 181.0
[M+Na-2H]- 211.96513 139.2
[M]+ 190.98991 135.7
[M]- 190.99101 135.7
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