CID 61384852

1-chloro-4,6-difluoro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H7ClF2
SMILES
C1CC2=C(C1Cl)C=C(C=C2F)F
InChI
InChI=1S/C9H7ClF2/c10-8-2-1-6-7(8)3-5(11)4-9(6)12/h3-4,8H,1-2H2
InChIKey
WPIODUPHTKMMJB-UHFFFAOYSA-N
Compound name
1-chloro-4,6-difluoro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02771 133.0
[M+Na]+ 211.00965 144.6
[M-H]- 187.01315 135.4
[M+NH4]+ 206.05425 157.1
[M+K]+ 226.98359 139.3
[M+H-H2O]+ 171.01769 127.4
[M+HCOO]- 233.01863 150.1
[M+CH3COO]- 247.03428 181.8
[M+Na-2H]- 208.99510 137.1
[M]+ 188.01988 131.9
[M]- 188.02098 131.9
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

No patent data available for this compound.