CID 10103886

143708-36-5

Structural Information

Molecular Formula
C8H5ClFNO
SMILES
C1=CC2=C(C=C1F)OC(=N2)CCl
InChI
InChI=1S/C8H5ClFNO/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2
InChIKey
JVUWLFQJNVEUSF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

185.00436 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.011636 130.4
[M+Na]+ 207.993578 143.5
[M-H]- 183.997084 133.8
[M+NH4]+ 203.038183 152.0
[M+K]+ 223.967518 140.1
[M+H-H2O]+ 168.001620 124.5
[M+HCOO]- 230.002561 149.7
[M+CH3COO]- 244.018211 145.7
[M+Na-2H]- 205.979026 139.0
[M]+ 185.00381142 135.2
[M]- 185.00490858 135.2
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