CID 2769707

2-amino-5-chlorobenzhydrol

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)N)O
InChI
InChI=1S/C13H12ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H,15H2
InChIKey
PAHDPXOLONPKTP-UHFFFAOYSA-N
Compound name
(2-amino-5-chlorophenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

233.06075 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.068026 149.9
[M+Na]+ 256.049968 158.1
[M-H]- 232.053474 155.0
[M+NH4]+ 251.094573 167.4
[M+K]+ 272.023908 152.3
[M+H-H2O]+ 216.058010 144.0
[M+HCOO]- 278.058951 168.2
[M+CH3COO]- 292.074601 189.7
[M+Na-2H]- 254.035416 154.2
[M]+ 233.06020142 148.9
[M]- 233.06129858 148.9
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