CID 91634031

1-(difluoromethyl)-4-ethenylbenzene

Structural Information

Molecular Formula
C9H8F2
SMILES
C=CC1=CC=C(C=C1)C(F)F
InChI
InChI=1S/C9H8F2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,9H,1H2
InChIKey
QFHBYLMBDSZSEC-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-4-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.0594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.066676 127.1
[M+Na]+ 177.048618 135.6
[M-H]- 153.052124 128.4
[M+NH4]+ 172.093223 148.3
[M+K]+ 193.022558 132.8
[M+H-H2O]+ 137.056660 120.2
[M+HCOO]- 199.057601 148.8
[M+CH3COO]- 213.073251 178.0
[M+Na-2H]- 175.034066 132.4
[M]+ 154.05885142 123.8
[M]- 154.05994858 123.8
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