CID 5122966

84474-01-1

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC1=C(C=C(C=C1)NCC2=CC=CC=C2O)Cl
InChI
InChI=1S/C14H14ClNO/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-8,16-17H,9H2,1H3
InChIKey
AREQQHVZFWNKCK-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-methylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 153.8
[M+Na]+ 270.06561 162.8
[M-H]- 246.06911 159.6
[M+NH4]+ 265.11021 171.5
[M+K]+ 286.03955 156.7
[M+H-H2O]+ 230.07365 147.7
[M+HCOO]- 292.07459 173.4
[M+CH3COO]- 306.09024 193.5
[M+Na-2H]- 268.05106 159.1
[M]+ 247.07584 155.2
[M]- 247.07694 155.2
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

No patent data available for this compound.