CID 2393508

2-{[(2-chlorophenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C(C(=C1)CNC2=CC=CC=C2Cl)O
InChI
InChI=1S/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2
InChIKey
JICVFOZMJQFGKJ-UHFFFAOYSA-N
Compound name
2-[(2-chloroanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

233.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.068026 149.1
[M+Na]+ 256.049968 157.6
[M-H]- 232.053474 154.6
[M+NH4]+ 251.094573 167.0
[M+K]+ 272.023908 151.6
[M+H-H2O]+ 216.058010 143.0
[M+HCOO]- 278.058951 169.1
[M+CH3COO]- 292.074601 189.4
[M+Na-2H]- 254.035416 155.7
[M]+ 233.06020142 149.7
[M]- 233.06129858 149.7
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