CID 203337

14185-11-6

Structural Information

Molecular Formula
C16H17Cl2NO
SMILES
CC(CN)C(C1=CC(=CC=C1)Cl)(C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C16H17Cl2NO/c1-11(10-19)16(20,12-4-2-6-14(17)8-12)13-5-3-7-15(18)9-13/h2-9,11,20H,10,19H2,1H3
InChIKey
MQBDZEZRJWNNSZ-UHFFFAOYSA-N
Compound name
3-amino-1,1-bis(3-chlorophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.06873 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07601 169.5
[M+Na]+ 332.05795 177.2
[M-H]- 308.06145 173.7
[M+NH4]+ 327.10255 184.5
[M+K]+ 348.03189 169.9
[M+H-H2O]+ 292.06599 164.1
[M+HCOO]- 354.06693 180.2
[M+CH3COO]- 368.08258 203.4
[M+Na-2H]- 330.04340 172.2
[M]+ 309.06818 170.6
[M]- 309.06928 170.6
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