CID 2782939

1-butoxy-2,3-difluorobenzene

Structural Information

Molecular Formula
C10H12F2O
SMILES
CCCCOC1=C(C(=CC=C1)F)F
InChI
InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3
InChIKey
HYDIPEHDSUNHPA-UHFFFAOYSA-N
Compound name
1-butoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

186.08562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09290 136.0
[M+Na]+ 209.07484 144.9
[M-H]- 185.07834 137.3
[M+NH4]+ 204.11944 156.3
[M+K]+ 225.04878 142.5
[M+H-H2O]+ 169.08288 128.6
[M+HCOO]- 231.08382 158.3
[M+CH3COO]- 245.09947 184.2
[M+Na-2H]- 207.06029 141.2
[M]+ 186.08507 136.2
[M]- 186.08617 136.2
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

patents stripe