CID 74381

4-chloro-alpha-methylstyrene

Structural Information

Molecular Formula
C9H9Cl
SMILES
CC(=C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChIKey
WQDGTJOEMPEHHL-UHFFFAOYSA-N
Compound name
1-chloro-4-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1549
Patents

152.03928 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.046556 127.7
[M+Na]+ 175.028498 136.9
[M-H]- 151.032004 131.6
[M+NH4]+ 170.073103 150.0
[M+K]+ 191.002438 132.9
[M+H-H2O]+ 135.036540 123.6
[M+HCOO]- 197.037481 146.9
[M+CH3COO]- 211.053131 176.4
[M+Na-2H]- 173.013946 133.7
[M]+ 152.03873142 128.6
[M]- 152.03982858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe