CID 137965693

2230808-64-5

Structural Information

Molecular Formula
C10H7BrF2
SMILES
C1C2C(C2(F)F)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C10H7BrF2/c11-6-2-1-5-3-8-9(7(5)4-6)10(8,12)13/h1-2,4,8-9H,3H2
InChIKey
DHAYOQSGJKTRHI-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluoro-6,6a-dihydro-1aH-cyclopropa[a]indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97720 145.6
[M+Na]+ 266.95914 162.3
[M-H]- 242.96264 152.8
[M+NH4]+ 262.00374 168.0
[M+K]+ 282.93308 149.9
[M+H-H2O]+ 226.96718 145.6
[M+HCOO]- 288.96812 164.0
[M+CH3COO]- 302.98377 161.1
[M+Na-2H]- 264.94459 152.9
[M]+ 243.96937 164.5
[M]- 243.97047 164.5
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.