CID 135396435

2410559-74-7

Structural Information

Molecular Formula
C7H9BF3O2
SMILES
[B-](C12CC(C1)(C2)C(=O)OC)(F)(F)F
InChI
InChI=1S/C7H9BF3O2/c1-13-5(12)6-2-7(3-6,4-6)8(9,10)11/h2-4H2,1H3/q-1
InChIKey
YXUGZLOGNMGJLN-UHFFFAOYSA-N
Compound name
trifluoro-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07205 156.8
[M+Na]+ 216.05399 161.1
[M-H]- 192.05749 156.2
[M+NH4]+ 211.09859 162.2
[M+K]+ 232.02793 166.5
[M+H-H2O]+ 176.06203 144.9
[M+HCOO]- 238.06297 165.9
[M+CH3COO]- 252.07862 207.9
[M+Na-2H]- 214.03944 161.7
[M]+ 193.06422 177.5
[M]- 193.06532 177.5
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.