CID 59532388

1110641-65-0

Structural Information

Molecular Formula
C13H17ClO
SMILES
CC(=C)CC(CCCl)(C1=CC=CC=C1)O
InChI
InChI=1S/C13H17ClO/c1-11(2)10-13(15,8-9-14)12-6-4-3-5-7-12/h3-7,15H,1,8-10H2,2H3
InChIKey
QPBMIQQUGIGPEM-UHFFFAOYSA-N
Compound name
1-chloro-5-methyl-3-phenylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

224.09679 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10407 151.0
[M+Na]+ 247.08601 157.6
[M-H]- 223.08951 152.7
[M+NH4]+ 242.13061 169.4
[M+K]+ 263.05995 152.5
[M+H-H2O]+ 207.09405 146.4
[M+HCOO]- 269.09499 166.1
[M+CH3COO]- 283.11064 186.9
[M+Na-2H]- 245.07146 155.6
[M]+ 224.09624 152.2
[M]- 224.09734 152.2
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

patents stripe