CID 102944

3158-98-3

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)Cl)N)O
InChI
InChI=1S/C14H14ClNO/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,17H,16H2,1H3
InChIKey
SIGGISMALGOPAO-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

247.07639 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.083666 154.8
[M+Na]+ 270.065608 163.3
[M-H]- 246.069114 160.1
[M+NH4]+ 265.110213 172.0
[M+K]+ 286.039548 157.3
[M+H-H2O]+ 230.073650 149.1
[M+HCOO]- 292.074591 172.2
[M+CH3COO]- 306.090241 192.2
[M+Na-2H]- 268.051056 160.5
[M]+ 247.07584142 154.4
[M]- 247.07693858 154.4
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