CID 457600

2,5-dichlorobenzylamine

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
C1=CC(=C(C=C1Cl)CN)Cl
InChI
InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
AKGJLIXNRPNPCH-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

522
Patents

174.99556 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 131.8
[M+Na]+ 197.98478 142.2
[M-H]- 173.98828 134.7
[M+NH4]+ 193.02938 153.2
[M+K]+ 213.95872 136.8
[M+H-H2O]+ 157.99282 128.4
[M+HCOO]- 219.99376 147.6
[M+CH3COO]- 234.00941 180.4
[M+Na-2H]- 195.97023 137.5
[M]+ 174.99501 132.9
[M]- 174.99611 132.9
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